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Results: 89
Number of items: 89
  • Open Access
    Matito-Martos, I., García-Reyes, J., Martin-Calvo, A., Dubbeldam, D., & Calero, S. (2019). Improving Ammonia Production Using Zeolites. Journal of Physical Chemistry C, 123(30), 18475-18481. https://doi.org/10.1021/acs.jpcc.9b05366
  • Open Access
    Dubbeldam, D., Vreede, J., Vlugt, T. J. H., & Calero, S. (2019). Highlights of (bio-)chemical tools and visualization software for computational science. Current Opinion in Chemical Engineering, 23, 1-13. https://doi.org/10.1016/j.coche.2019.02.001
  • Open Access
    Martin-Calvo, A., Gutierrez-Sevillano, J. J., Dubbeldam, D., & Calero, S. (2019). Using Aliphatic Alcohols to Tune Benzene Adsorption in MAF-6. Advanced Theory and Simulations, 2(11), Article 1900112. https://doi.org/10.1002/adts.201900112
  • Open Access
    Dubbeldam, D., Walton, K. S., Vlugt, T. J. H., & Calero, S. (2019). Design, Parameterization, and Implementation of Atomic Force Fields for Adsorption in Nanoporous Materials. Advanced Theory and Simulations, 2(11), Article 1900135. https://doi.org/10.1002/adts.201900135
  • Open Access
    Dubbeldam, D., Calero, S., & Vlugt, T. J. H. (2018). iRASPA: GPU-accelerated visualization software for materials scientists. Molecular Simulation, 44(8), 653-676. https://doi.org/10.1080/08927022.2018.1426855
  • Open Access
    Matito-Martos, I., Rahbari, A., Martin-Calvo, A., Dubbeldam, D., Vlugt, T. J. H., & Calero, S. (2018). Adsorption equilibrium of nitrogen dioxide in porous materials. Physical Chemistry Chemical Physics, 20(6), 4189-4199. https://doi.org/10.1039/c7cp08017d
  • Open Access
    Luna-Triguero, A., Vicent-Luna, J. M., Becker, T. M., Vlugt, T. J. H., Dubbeldam, D., Gómez-Álvarez, P., & Calero, S. (2017). Effective Model for Olefin/Paraffin Separation using (Co, Fe, Mn, Ni)-MOF-74. ChemistrySelect, 2(2), 665-672. https://doi.org/10.1002/slct.201601095
  • Open Access
    Balestra, S. R. G., Bueno-Perez, R., Hamad, S., Dubbeldam, D., Ruiz-Salvador, A. R., & Calero, S. (2016). Controlling Thermal Expansion: A Metal-Organic Frameworks Route. Chemistry of Materials, 28(22), 8296-8304. https://doi.org/10.1021/acs.chemmater.6b03457
  • Open Access
    Vicent-Luna, J. M., Dubbeldam, D., Gómez-Álvarez, P., & Calero, S. (2016). Aqueous solutions of ionic liquids: microscopic assembly. ChemPhysChem, 17(3), 380-386. https://doi.org/10.1002/cphc.201501022
  • Open Access
    Ramdin, M., Balaji, S. P., Vicent-Luna, J. M., Torres-Knoop, A., Chen, Q., Dubbeldam, D., Calero, S., de Loos, T. W., & Vlugt, T. J. H. (2016). Computing bubble-points of CO2/CH4 gas mixtures in ionic liquids from Monte Carlo simulations. Fluid Phase Equilibria, 418, 100-107. https://doi.org/10.1016/j.fluid.2015.09.041
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